4-(2,4-dimethylphenyl)-4-oxidanylidene-butanoate; 2-methyldodecan-2-ylazanium

Systemtic Name: 4-(2,4-dimethylphenyl)-4-oxidanylidene-butanoate; 2-methyldodecan-2-ylazanium Openeye Name: 4-(2,4-dimethylphenyl)-4-oxo-butanoate; 1,1-dimethylundecylammonium CAS Name: 4-(2,4-dimethylphenyl)-4-oxobutanoate; 2-methyldodecan-2-ylammonium IUPAC Name: 4-(2,4-dimethylphenyl)-4-oxobutanoate; 2-methyldodecan-2-ylazanium Traditional Name: 4-(2,4-dimethylphenyl)-4-keto-butyrate; 1,1-dimethylundecylammonium Formula: C25H43NO3 MolecularWeight: 405.61382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)(C)[NH3+].CC1=CC(=C(C=C1)C(=O)CCC(=O)[O-])C

Isomeric SMILES

CCCCCCCCCCC(C)(C)[NH3+].CC1=CC(=C(C=C1)C(=O)CCC(=O)[O-])C

InChI

InChI=1S/C13H29N.C12H14O3/c1-4-5-6-7-8-9-10-11-12-13(2,3)14;1-8-3-4-10(9(2)7-8)11(13)5-6-12(14)15/h4-12,14H2,1-3H3;3-4,7H,5-6H2,1-2H3,(H,14,15)